ChemSpider 2D Image | (2R)-3-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-2-(palmitoyloxy)propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate | C57H96O6

(2R)-3-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-2-(palmitoyloxy)propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate

  • Molecular FormulaC57H96O6
  • Average mass877.369 Da
  • Monoisotopic mass876.720703 Da
  • ChemSpider ID59661637

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-3-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-2-(palmitoyloxy)propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(2R)-3-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-2-(palmitoyloxy)propyl-(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatétraénoate de (2R)-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, (2R)-2-[(1-oxohexadecyl)oxy]-3-[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]propyl ester, (8Z,11Z,14Z,17Z)- [ACD/Index Name]
(2R)-2-(hexadecanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
1-(6Z,9Z,12Z-Octadecatrienoyl)-2-hexadecanoyl-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol
1-g-Linolenoyl-2-palmitoyl-3-eicsoatetraenoyl-glycerol
TAG(18:3/16:0/20:4)
TAG(54:7)
TG(18:3(6Z,9Z,12Z)/16:0/20:4(8Z,11Z,14Z,17Z))
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 815.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 303.2±34.3 °C
Index of Refraction: 1.493
Molar Refractivity: 271.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.22
ACD/LogD (pH 5.5): 18.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.8±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 935.5±3.0 cm3

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